| PDB CCD ID: | MXQ |
| Number of entries in BioLiP: | 20 |
| Chemical formula: | C14 H20 N2 O2 |
| InChI: | InChI=1S/C14H20N2O2/c17-5-1-2-11-3-4-13-12-6-10(7-15-8-12)9-16(13)14(11)18/h3-4,10,12,15,17H,1-2,5-9H2/t10-,12+/m0/s1 |
| InChIKey: | JXEXVCIRYVIYEW-CMPLNLGQSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | C1C2CNCC1C3=CC=C(C(=O)N3C2)CCCO | | OpenEye OEToolkits 2.0.7 | C1[C@H]2CNC[C@@H]1C3=CC=C(C(=O)N3C2)CCCO | | CACTVS 3.385 | OCCCC1=CC=C2[CH]3CNC[CH](C3)CN2C1=O | | CACTVS 3.385 | OCCCC1=CC=C2[C@H]3CNC[C@H](C3)CN2C1=O |
|
| Name: | (1~{R},9~{S})-5-(3-oxidanylpropyl)-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one |
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